SCHEMBL2232640

SCHEMBL2232640

CC(C)CC(=O)OC(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
HTR2A P28223 1/20 0.51
GAA P10253 2/20 0.47
MGLL Q99685 2/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
PTGS2 P35354 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2235137 0.88 BCL9 (0.56) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL2234610 0.86 BCL9 (0.68) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL15459741 0.85 HTR2A (0.53) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL14453837 0.84 BCL9 (0.65) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL2233659 0.83 HTR2A (0.52) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL6447049 0.83 BCL9 (0.53) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL2235530 0.82 HTR2A (0.54) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL7989561 0.82 HTR2A (0.53) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL2235180 0.81 BCL9 (0.48) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL22364451 0.81 HTR2A (0.46) BCL9CTNNB1HTR2AGAAMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 BCL9 2611/4885CTNNB1 4803/4885HTR2A 4341/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.